OpenRaiser/Intern-Atlas huggingface dataset:
A General Framework for quantifying Aleatoric and Epistemic uncertainty in Graph Neural Networks
Venue: arXiv cs.LG 2022
Year: 2022

Graph Neural Networks (GNN) provide a powerful framework that elegantly integrates Graph theory with Machine learning for modeling and analysis of networked data. We consider the problem of quantifying the uncertainty in predictions of GNN stemming from modeling errors and measurement uncertainty. We consider aleatoric uncertainty in the form of probabilistic links and noise in feature vector of nodes, while epistemic uncertainty is incorporated via a probability distribution over the model parameters. We propose a unified approach to treat both sources of uncertainty in a Bayesian framework, where Assumed Density Filtering is used to quantify aleatoric uncertainty and Monte Carlo dropout captures uncertainty in model parameters. Finally, the two sources of uncertainty are aggregated to estimate the total uncertainty in predictions of a GNN. Results in the real-world datasets demonstrate that the Bayesian model performs at par with a frequentist model and provides additional information about predictions uncertainty that are sensitive to uncertainties in the data and model.
Constructive Interpretability with CoLabel: Corroborative Integration, Complementary Features, and Collaborative Learning
Venue: arXiv cs.CV 2022
Year: 2022

Machine learning models with explainable predictions are increasingly sought after, especially for real-world, mission-critical applications that require bias detection and risk mitigation. Inherent interpretability, where a model is designed from the ground-up for interpretability, provides intuitive insights and transparent explanations on model prediction and performance. In this paper, we present CoLabel, an approach to build interpretable models with explanations rooted in the ground truth. We demonstrate CoLabel in a vehicle feature extraction application in the context of vehicle make-model recognition (VMMR). CoLabel performs VMMR with a composite of interpretable features such as vehicle color, type, and make, all based on interpretable annotations of the ground truth labels. First, CoLabel performs corroborative integration to join multiple datasets that each have a subset of desired annotations of color, type, and make. Then, CoLabel uses decomposable branches to extract complementary features corresponding to desired annotations. Finally, CoLabel fuses them together for final predictions. During feature fusion, CoLabel harmonizes complementary branches so that VMMR features are compatible with each other and can be projected to the same semantic space for classification. With inherent interpretability, CoLabel achieves superior performance to the state-of-the-art black-box models, with accuracy of 0.98, 0.95, and 0.94 on CompCars, Cars196, and BoxCars116K, respectively. CoLabel provides intuitive explanations due to constructive interpretability, and subsequently achieves high accuracy and usability in mission-critical situations.
Correct by Design Coordination of Autonomous Driving Systems
Venue: arXiv cs.MA 2022
Year: 2022

The paper proposes a method for the correct by design coordination of autonomous driving systems (ADS). It builds on previous results on collision avoidance policies and the modeling of ADS by combining descriptions of their static environment in the form of maps, and the dynamic behavior of their vehicles. An ADS is modeled as a dynamic system involving a set of vehicles coordinated by a Runtime that based on vehicle positions on a map and their kinetic attributes, computes free spaces for each vehicle. Vehicles are bounded to move within the corresponding allocated free spaces. We provide a correct by design safe control policy for an ADS if its vehicles and the Runtime respect corresponding assume-guarantee contracts. The result is established by showing that the composition of assume-guarantee contracts is an inductive invariant that entails ADS safety. We show that it is practically possible to define speed control policies for vehicles that comply with their contracts. Furthermore, we show that traffic rules can be specified in a linear-time temporal logic, as a class of formulas that constrain vehicle speeds. The main result is that, given a set of traffic rules, it is possible to derive free space policies of the Runtime such that the resulting system behavior is safe by design with respect to the rules.
The Sufficiency of Off-Policyness and Soft Clipping: PPO is still Insufficient according to an Off-Policy Measure
Venue: arXiv cs.LG 2022
Year: 2022

The popular Proximal Policy Optimization (PPO) algorithm approximates the solution in a clipped policy space. Does there exist better policies outside of this space? By using a novel surrogate objective that employs the sigmoid function (which provides an interesting way of exploration), we found that the answer is ``YES'', and the better policies are in fact located very far from the clipped space. We show that PPO is insufficient in ``off-policyness'', according to an off-policy metric called DEON. Our algorithm explores in a much larger policy space than PPO, and it maximizes the Conservative Policy Iteration (CPI) objective better than PPO during training. To the best of our knowledge, all current PPO methods have the clipping operation and optimize in the clipped policy space. Our method is the first of this kind, which advances the understanding of CPI optimization and policy gradient methods. Code is available at https://github.com/raincchio/P3O.
Balancing Exploration and Exploitation for Solving Large-scale Multiobjective Optimization via Attention Mechanism
Venue: arXiv cs.NE 2022
Year: 2022

Large-scale multiobjective optimization problems (LSMOPs) refer to optimization problems with multiple conflicting optimization objectives and hundreds or even thousands of decision variables. A key point in solving LSMOPs is how to balance exploration and exploitation so that the algorithm can search in a huge decision space efficiently. Large-scale multiobjective evolutionary algorithms consider the balance between exploration and exploitation from the individual's perspective. However, these algorithms ignore the significance of tackling this issue from the perspective of decision variables, which makes the algorithm lack the ability to search from different dimensions and limits the performance of the algorithm. In this paper, we propose a large-scale multiobjective optimization algorithm based on the attention mechanism, called (LMOAM). The attention mechanism will assign a unique weight to each decision variable, and LMOAM will use this weight to strike a balance between exploration and exploitation from the decision variable level. Nine different sets of LSMOP benchmarks are conducted to verify the algorithm proposed in this paper, and the experimental results validate the effectiveness of our design.
Semi-self-supervised Automated ICD Coding
Venue: arXiv cs.CL 2022
Year: 2022

Clinical Text Notes (CTNs) contain physicians' reasoning process, written in an unstructured free text format, as they examine and interview patients. In recent years, several studies have been published that provide evidence for the utility of machine learning for predicting doctors' diagnoses from CTNs, a task known as ICD coding. Data annotation is time consuming, particularly when a degree of specialization is needed, as is the case for medical data. This paper presents a method of augmenting a sparsely annotated dataset of Icelandic CTNs with a machine-learned imputation in a semi-self-supervised manner. We train a neural network on a small set of annotated CTNs and use it to extract clinical features from a set of un-annotated CTNs. These clinical features consist of answers to about a thousand potential questions that a physician might find the answers to during a consultation of a patient. The features are then used to train a classifier for the diagnosis of certain types of diseases. We report the results of an evaluation of this data augmentation method over three tiers of data availability to the physician. Our data augmentation method shows a significant positive effect which is diminished when clinical features from the examination of the patient and diagnostics are made available. We recommend our method for augmenting scarce datasets for systems that take decisions based on clinical features that do not include examinations or tests.
Visual Concepts Tokenization
Venue: arXiv cs.CV 2022
Year: 2022

Obtaining the human-like perception ability of abstracting visual concepts from concrete pixels has always been a fundamental and important target in machine learning research fields such as disentangled representation learning and scene decomposition. Towards this goal, we propose an unsupervised transformer-based Visual Concepts Tokenization framework, dubbed VCT, to perceive an image into a set of disentangled visual concept tokens, with each concept token responding to one type of independent visual concept. Particularly, to obtain these concept tokens, we only use cross-attention to extract visual information from the image tokens layer by layer without self-attention between concept tokens, preventing information leakage across concept tokens. We further propose a Concept Disentangling Loss to facilitate that different concept tokens represent independent visual concepts. The cross-attention and disentangling loss play the role of induction and mutual exclusion for the concept tokens, respectively. Extensive experiments on several popular datasets verify the effectiveness of VCT on the tasks of disentangled representation learning and scene decomposition. VCT achieves the state of the art results by a large margin.
Adversarial joint attacks on legged robots
Venue: arXiv cs.RO 2022
Year: 2022

We address adversarial attacks on the actuators at the joints of legged robots trained by deep reinforcement learning. The vulnerability to the joint attacks can significantly impact the safety and robustness of legged robots. In this study, we demonstrate that the adversarial perturbations to the torque control signals of the actuators can significantly reduce the rewards and cause walking instability in robots. To find the adversarial torque perturbations, we develop black-box adversarial attacks, where, the adversary cannot access the neural networks trained by deep reinforcement learning. The black box attack can be applied to legged robots regardless of the architecture and algorithms of deep reinforcement learning. We employ three search methods for the black-box adversarial attacks: random search, differential evolution, and numerical gradient descent methods. In experiments with the quadruped robot Ant-v2 and the bipedal robot Humanoid-v2, in OpenAI Gym environments, we find that differential evolution can efficiently find the strongest torque perturbations among the three methods. In addition, we realize that the quadruped robot Ant-v2 is vulnerable to the adversarial perturbations, whereas the bipedal robot Humanoid-v2 is robust to the perturbations. Consequently, the joint attacks can be used for proactive diagnosis of robot walking instability.
Construction of Rough graph to handle uncertain pattern from an Information System
Venue: arXiv cs.AI 2022
Year: 2022

Rough membership function defines the measurement of relationship between conditional and decision attribute from an Information system. In this paper we propose a new method to construct rough graph through rough membership function $ω_{G}^F(f)$. Rough graph identifies the pattern between the objects with imprecise and uncertain information. We explore the operations and properties of rough graph in various stages of its structure.
A Look Inside 5G Standards to Support Time Synchronization for Smart Manufacturing
Venue: arXiv cs.NI 2022
Year: 2022

Connectivity has a major role in the current transformation of smart manufacturing. 5G is foreseen as an integral part of an end-to-end networking infrastructure supporting smart manufacturing operation. The integration of 5G with time-sensitive networking (TSN)is seen as a holistic communication solution for smart factories. The next generation of industrialization consists of real-time processes, automation, fixed and cellular networks, and high diversity of devices. The integration of fixed and cellular devices in a single infrastructure to enable end-to-end deterministic communications requires high accuracy of time synchronization. The transport technologies in fixed networks have been evolving toward TSN and deterministic networking to fulfill the requirements for industrial communications. The latest cellular specifications for 5G are targeting ultra-reliable and low-latency communications that enable the Industrial Internet of Things. This article describes the state of the art for integrating TSN with 5G networks based on the support given in 3GPP TS 23.501 Release 16. The requirements for time synchronization in factory automation and integration with 5G networks are presented, together with the most recent advancements in the standardization process.
Adversarial Body Shape Search for Legged Robots
Venue: arXiv cs.RO 2022
Year: 2022

We propose an evolutionary computation method for an adversarial attack on the length and thickness of parts of legged robots by deep reinforcement learning. This attack changes the robot body shape and interferes with walking-we call the attacked body as adversarial body shape. The evolutionary computation method searches adversarial body shape by minimizing the expected cumulative reward earned through walking simulation. To evaluate the effectiveness of the proposed method, we perform experiments with three-legged robots, Walker2d, Ant-v2, and Humanoid-v2 in OpenAI Gym. The experimental results reveal that Walker2d and Ant-v2 are more vulnerable to the attack on the length than the thickness of the body parts, whereas Humanoid-v2 is vulnerable to the attack on both of the length and thickness. We further identify that the adversarial body shapes break left-right symmetry or shift the center of gravity of the legged robots. Finding adversarial body shape can be used to proactively diagnose the vulnerability of legged robot walking.
A Novel Underwater Image Enhancement and Improved Underwater Biological Detection Pipeline
Venue: arXiv cs.CV 2022
Year: 2022

For aquaculture resource evaluation and ecological environment monitoring, automatic detection and identification of marine organisms is critical. However, due to the low quality of underwater images and the characteristics of underwater biological, a lack of abundant features may impede traditional hand-designed feature extraction approaches or CNN-based object detection algorithms, particularly in complex underwater environment. Therefore, the goal of this paper is to perform object detection in the underwater environment. This paper proposed a novel method for capturing feature information, which adds the convolutional block attention module (CBAM) to the YOLOv5 backbone. The interference of underwater creature characteristics on object characteristics is decreased, and the output of the backbone network to object information is enhanced. In addition, the self-adaptive global histogram stretching algorithm (SAGHS) is designed to eliminate the degradation problems such as low contrast and color loss caused by underwater environmental information to better restore image quality. Extensive experiments and comprehensive evaluation on the URPC2021 benchmark dataset demonstrate the effectiveness and adaptivity of our methods. Beyond that, this paper conducts an exhaustive analysis of the role of training data on performance.
DELATOR: Money Laundering Detection via Multi-Task Learning on Large Transaction Graphs
Venue: arXiv cs.LG 2022
Year: 2022

Money laundering has become one of the most relevant criminal activities in modern societies, as it causes massive financial losses for governments, banks and other institutions. Detecting such activities is among the top priorities when it comes to financial analysis, but current approaches are often costly and labor intensive partly due to the sheer amount of data to be analyzed. Hence, there is a growing need for automatic anti-money laundering systems to assist experts. In this work, we propose DELATOR, a novel framework for detecting money laundering activities based on graph neural networks that learn from large-scale temporal graphs. DELATOR provides an effective and efficient method for learning from heavily imbalanced graph data, by adapting concepts from the GraphSMOTE framework and incorporating elements of multi-task learning to obtain rich node embeddings for node classification. DELATOR outperforms all considered baselines, including an off-the-shelf solution from Amazon AWS by 23% with respect to AUC-ROC. We also conducted real experiments that led to the discovery of 7 new suspicious cases among the 50 analyzed ones, which have been reported to the authorities.
Nothing makes sense in deep learning, except in the light of evolution
Venue: arXiv cs.LG 2022
Year: 2022

Deep Learning (DL) is a surprisingly successful branch of machine learning. The success of DL is usually explained by focusing analysis on a particular recent algorithm and its traits. Instead, we propose that an explanation of the success of DL must look at the population of all algorithms in the field and how they have evolved over time. We argue that cultural evolution is a useful framework to explain the success of DL. In analogy to biology, we use `development' to mean the process converting the pseudocode or text description of an algorithm into a fully trained model. This includes writing the programming code, compiling and running the program, and training the model. If all parts of the process don't align well then the resultant model will be useless (if the code runs at all!). This is a constraint. A core component of evolutionary developmental biology is the concept of deconstraints -- these are modification to the developmental process that avoid complete failure by automatically accommodating changes in other components. We suggest that many important innovations in DL, from neural networks themselves to hyperparameter optimization and AutoGrad, can be seen as developmental deconstraints. These deconstraints can be very helpful to both the particular algorithm in how it handles challenges in implementation and the overall field of DL in how easy it is for new ideas to be generated. We highlight how our perspective can both advance DL and lead to new insights for evolutionary biology.
EGR: Equivariant Graph Refinement and Assessment of 3D Protein Complex Structures
Venue: arXiv cs.LG 2022
Year: 2022

Protein complexes are macromolecules essential to the functioning and well-being of all living organisms. As the structure of a protein complex, in particular its region of interaction between multiple protein subunits (i.e., chains), has a notable influence on the biological function of the complex, computational methods that can quickly and effectively be used to refine and assess the quality of a protein complex's 3D structure can directly be used within a drug discovery pipeline to accelerate the development of new therapeutics and improve the efficacy of future vaccines. In this work, we introduce the Equivariant Graph Refiner (EGR), a novel E(3)-equivariant graph neural network (GNN) for multi-task structure refinement and assessment of protein complexes. Our experiments on new, diverse protein complex datasets, all of which we make publicly available in this work, demonstrate the state-of-the-art effectiveness of EGR for atomistic refinement and assessment of protein complexes and outline directions for future work in the field. In doing so, we establish a baseline for future studies in macromolecular refinement and structure analysis.
Combining Contrastive and Supervised Learning for Video Super-Resolution Detection
Venue: arXiv cs.CV 2022
Year: 2022

Upscaled video detection is a helpful tool in multimedia forensics, but it is a challenging task that involves various upscaling and compression algorithms. There are many resolution-enhancement methods, including interpolation and deep-learning-based super-resolution, and they leave unique traces. In this work, we propose a new upscaled-resolution-detection method based on learning of visual representations using contrastive and cross-entropy losses. To explain how the method detects videos, we systematically review the major components of our framework - in particular, we show that most data-augmentation approaches hinder the learning of the method. Through extensive experiments on various datasets, we demonstrate that our method effectively detects upscaling even in compressed videos and outperforms the state-of-the-art alternatives. The code and models are publicly available at https://github.com/msu-video-group/SRDM
Learning Geometrically Disentangled Representations of Protein Folding Simulations
Venue: arXiv cs.LG 2022
Year: 2022

Massive molecular simulations of drug-target proteins have been used as a tool to understand disease mechanism and develop therapeutics. This work focuses on learning a generative neural network on a structural ensemble of a drug-target protein, e.g. SARS-CoV-2 Spike protein, obtained from computationally expensive molecular simulations. Model tasks involve characterizing the distinct structural fluctuations of the protein bound to various drug molecules, as well as efficient generation of protein conformations that can serve as an complement of a molecular simulation engine. Specifically, we present a geometric autoencoder framework to learn separate latent space encodings of the intrinsic and extrinsic geometries of the protein structure. For this purpose, the proposed Protein Geometric AutoEncoder (ProGAE) model is trained on the protein contact map and the orientation of the backbone bonds of the protein. Using ProGAE latent embeddings, we reconstruct and generate the conformational ensemble of a protein at or near the experimental resolution, while gaining better interpretability and controllability in term of protein structure generation from the learned latent space. Additionally, ProGAE models are transferable to a different state of the same protein or to a new protein of different size, where only the dense layer decoding from the latent representation needs to be retrained. Results show that our geometric learning-based method enjoys both accuracy and efficiency for generating complex structural variations, charting the path toward scalable and improved approaches for analyzing and enhancing high-cost simulations of drug-target proteins.
"Nudes? Shouldn't I charge for these?" : Motivations of New Sexual Content Creators on OnlyFans
Venue: arXiv cs.HC 2022
Year: 2022

With over 1.5 million content creators, OnlyFans is one of the fastest growing subscription-based social media platforms. The platform is primarily associated with sexual content. Thus, OnlyFans creators are uniquely positioned at the intersection of professional social media content creation and sex work. While the experiences and motivations of experienced sex workers to adopt OnlyFans have been studied, in this work we seek to understand the motivations of creators who had not previously done sex work. Through a qualitative interview study of 22 U.S.-based OnlyFans creators, we find that beyond the typical motivations for pursuing gig work (e.g., flexibility, autonomy), our participants were motivated by three key factors: (1) societal visibility and mainstream acceptance of OnlyFans; (2) platform design and affordances such as boundary setting with clients, privacy from the public, and content archives; and (3) the pandemic, as OnlyFans provided an enormous opportunity to overcome lockdown-related issues.